CID 54596107

4-chloro-3-methanesulfonylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C7H8ClNO4S2
SMILES
CS(=O)(=O)C1=C(C=CC(=C1)S(=O)(=O)N)Cl
InChI
InChI=1S/C7H8ClNO4S2/c1-14(10,11)7-4-5(15(9,12)13)2-3-6(7)8/h2-4H,1H3,(H2,9,12,13)
InChIKey
NTBLRACTVZZVLP-UHFFFAOYSA-N
Compound name
4-chloro-3-methylsulfonylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.9583 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.96558 151.9
[M+Na]+ 291.94752 162.1
[M-H]- 267.95102 155.8
[M+NH4]+ 286.99212 169.2
[M+K]+ 307.92146 156.2
[M+H-H2O]+ 251.95556 147.7
[M+HCOO]- 313.95650 160.2
[M+CH3COO]- 327.97215 190.0
[M+Na-2H]- 289.93297 155.4
[M]+ 268.95775 156.2
[M]- 268.95885 156.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.